3-(1H-pyrazol-4-yl)benzoyl fluoride

C10H7FN2O — CID 145078506

IUPAC3-(1H-pyrazol-4-yl)benzoyl fluoride
SMILESO=C(F)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C10H7FN2O/c11-10(14)8-3-1-2-7(4-8)9-5-12-13-6-9/h1-6H,(H,12,13)
InChIKeyGSADPYRAIZGPHB-UHFFFAOYSA-N
MW190.18 g/mol
LogP2.19
Rot. Bonds2

About 3-(1H-pyrazol-4-yl)benzoyl fluoride

3-(1H-pyrazol-4-yl)benzoyl fluoride (PubChem CID 145078506) has the molecular formula C10H7FN2O and a molecular weight of 190.18 g/mol. Its IUPAC name is 3-(1H-pyrazol-4-yl)benzoyl fluoride.

Molecular Properties

Compound Name3-(1H-pyrazol-4-yl)benzoyl fluoride
PubChem CID145078506
Molecular FormulaC10H7FN2O
Molecular Weight190.18 g/mol
Exact Mass190.05
IUPAC Name3-(1H-pyrazol-4-yl)benzoyl fluoride
SMILESO=C(F)c1cccc(-c2cn[nH]c2)c1
InChIInChI=1S/C10H7FN2O/c11-10(14)8-3-1-2-7(4-8)9-5-12-13-6-9/h1-6H,(H,12,13)
InChIKeyGSADPYRAIZGPHB-UHFFFAOYSA-N
XLogP2.19
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-4-yl)benzoyl fluoride?
The IUPAC name of 3-(1H-pyrazol-4-yl)benzoyl fluoride (CID 145078506) is 3-(1H-pyrazol-4-yl)benzoyl fluoride.
What is the SMILES notation for 3-(1H-pyrazol-4-yl)benzoyl fluoride?
The canonical SMILES for 3-(1H-pyrazol-4-yl)benzoyl fluoride is O=C(F)c1cccc(-c2cn[nH]c2)c1.
What is the InChIKey of 3-(1H-pyrazol-4-yl)benzoyl fluoride?
The InChIKey is GSADPYRAIZGPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O/c11-10(14)8-3-1-2-7(4-8)9-5-12-13-6-9/h1-6H,(H,12,13).
What are the key properties of 3-(1H-pyrazol-4-yl)benzoyl fluoride?
3-(1H-pyrazol-4-yl)benzoyl fluoride has a molecular weight of 190.18 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-4-yl)benzoyl fluoride is sourced from PubChem (CID 145078506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).